(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Formula:C24H23N2O4Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H23N2O4Cl3 |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\[C@@H](c(cc1)cc(Cl)c1Cl)N(CCCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C24H23Cl3N2O4/c25-17-5-2-15(3-6-17)22(30)20-21(16-4-7-18(26)19(27)14-16)29(24(32)23(20)31)9-1-8-28-10-12-33-13-11-28/h2-7,14,21,30H,1,8-13H2/t21-/m1/s1 |
| InChIK | JDFRULXHJQIGBA-OAQYLSRUSA-N |
| TotalMolweight | 509.816 |
| Molweight | 509.816 |
| MonoisotopicMass | 508.072339 |
| CLogP | 3.8803 |
| CLogS | -4.116 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 356.47 |
| Relative PSA | 0.15788 |
| PolarSurfaceArea | 70.08 |
| Druglikeness | 0.85473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione | 2 - (4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off